Apixaban acid-C,d , CAS No.2748468-47-3

CAS: 2748468-47-3 Cat. No.: A1446423 Formula: C₂₄₁₃CH₂₁D₃N₄O₅ Peso molecolare: 464.49

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Apixaban acid- 13 C,d 3 is the deuterium and 13 C labeled Apixaban acid.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Peso molecolare

464.49

Application Protocols

No vendor-validated application protocols are provided for this item. The following general, non-binding guidance may help when using this product as an analytical standard.

• Stock preparation (general)

  • Allow vial to equilibrate to room temperature in a desiccator. Rapidly weigh the desired amount using an analytical balance. Dissolve in LC–MS grade DMSO or acetonitrile to prepare a concentrated stock (e.g., 1–10 mM). Vortex and, if needed, sonicate briefly.
  • Prepare single-use aliquots in amber vials; purge headspace with inert gas if long-term storage is anticipated.

• Calibration/QA

  • Construct calibration curves spanning expected analyte concentrations; if isotopically labeled, add at a fixed concentration to all standards and samples. Evaluate matrix effects by post-extraction spiking.
  • Verify short- and long-term stability at bench, autosampler (4–10°C), and freezer (−20°C) by bracketed QC injections.

• Documentation

  • Record exact weights, solvent lots, and final volumes. Store raw data and chromatograms per laboratory QA requirements.

These are general practices and not product specifications.

Biological Roles

• Item-specific (from Product Data)

  • No biological role or target data are provided for this product.

• General context (non-clinical, literature)

  • Apixaban is a well-known small molecule in hemostasis research; however, this product is an “acid-C,d” variant, likely intended for analytical or laboratory study rather than biological modulation. Without definitive structural and isotopic details, no specific biological function can be assigned to this item.

• Laboratory use implications

  • When used as an internal or reference standard in bioanalytical workflows (e.g., plasma, serum, or tissue extracts), the compound supports quantitation or tracking of recovery but is not itself a biological buffer or nutrient.
  • For in vitro work, keep solvent carrier levels (e.g., DMSO) within commonly accepted limits to avoid confounding biological readouts. Establish compound-specific cytotoxicity only if directly pertinent to your study; otherwise, handle as a reference material.

• Compliance note

  • For research use only. Not for human or veterinary use, clinical diagnostics, or therapeutic applications.

Buffer Applications

This item is a small-molecule standard/derivative and is not a buffering agent. It does not define pH or provide buffering capacity in the typical laboratory sense.

• Practical note
  • If dissolution into aqueous systems is required, use an appropriate buffer (e.g., phosphate, acetate, HEPES) validated for your assay, and introduce the compound via a miscible co-solvent (DMSO or acetonitrile) or by pH adjustment if a free acid is confirmed—consult the CoA for ionization state.
  • Verify that buffer salts and pH do not promote degradation (monitor by LC).

Green Alternatives

This product is a specialized small-molecule standard/derivative rather than a bulk solvent or general reagent; “green alternatives” are therefore best considered in terms of solvent and workflow choices during its use.

• Solvent choices (general guidance)

  • Prefer acetonitrile, ethanol, or water-based systems where feasible over chlorinated solvents for sample preparation and chromatography. DMSO is acceptable for concentrated stocks but keep final assay concentrations minimal.

• Process recommendations

  • Minimize solvent volumes by preparing higher-concentration stocks and micro-aliquoting.
  • Use LC methods with shorter columns and smaller particle sizes to reduce mobile-phase consumption, provided resolution/specifications are met.
  • Implement waste segregation to facilitate solvent recycling where available.

• Comparison of common diluents (general)

  • Acetonitrile: low toxicity profile relative to chlorinated solvents; high LC compatibility; readily recoverable by distillation.
  • Ethanol: renewable origin options; good safety profile; may be less suitable for some LC–MS applications due to ionization differences.
  • Methanol: effective but more toxic than ethanol; still preferable to chlorinated solvents.

• Documentation

  • Record solvent selection rationale in methods to demonstrate alignment with green chemistry and institutional sustainability targets.

Pharmaceutical Uses

• Item-specific (from Product Data)

  • No pharmacopeial status, excipient role, or formulation grade is specified for this item; refer to CoA/Spec Sheet.

• Appropriate laboratory roles (non-clinical)

  • May serve as a reference or internal standard in pharmaceutical R&D workflows, including method development, stability-indicating assays, extraction recovery studies, and impurity/metabolite tracking related to apixaban research.

• Important restrictions

  • For research use only. Not for use in humans or for clinical diagnostic procedures.

• Documentation and QC (general)

  • When used in regulated environments, maintain full traceability: batch-specific CoA, storage logs (−20°C), solution preparation records, and verification of concentration by independent assay where required (e.g., qNMR or validated LC method).
  • Match solid form (free acid/salt, polymorph, solvate) and isotopic labeling pattern to the intended analytical method to minimize bias.

Physical Properties

• Item-specific (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Other specifications (bp, mp, density, refractive index, UV cutoff, water content, residue on ignition, metal limits): Not specified for this item; refer to CoA/Spec Sheet.

• Practical handling notes (general)

  • Apixaban-related small molecules are typically solids of low volatility. They dissolve well in polar aprotic organic solvents (e.g., DMSO, DMF, acetonitrile) and variably in alcohols; aqueous solubility can depend strongly on ionization state (free acid vs. salt).
  • If preparing analytical standards, weigh accurately in a low-humidity environment and dissolve using class-A volumetrics to achieve gravimetrically traceable concentrations.

• Computed/literature values

  • Specific property data for CAS 2748468-47-3 are not available here. Do not substitute literature values from the parent drug for this item. For assay development, determine solubility and pKa experimentally or consult the CoA/Spec Sheet.

• Compatibility (general)

  • Stock solutions in DMSO or acetonitrile are commonly stable when stored frozen and protected from moisture and light; verify stability and concentration by LC/UV or LC–MS as appropriate.

Quality and Grades

• Item-specific (from Product Data)

  • Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

• Interpreting grades (general guidance)

  • Analytical/reference standard grade typically emphasizes identity confirmation (NMR, HRMS), high assay, defined impurity profile, and stability under stated conditions. If this item is intended as an isotopically labeled standard (suggested by “C,d”), key attributes include isotopic enrichment levels, isotopologue distribution, and residual unlabeled content—these should be explicitly stated on the CoA.
  • For chromatography/quantitation work, low non-volatile residue and minimal UV-active impurities are preferred; where relevant, HPLC trace and purity determination method should be documented.

• Documentation to expect

  • CoA detailing assay (%), residual solvents, water (Karl Fischer), and impurity profile (HPLC/UPLC).
  • Structural confirmation (1H/13C NMR, MS/HRMS) and, for labeled materials, isotopic incorporation analysis (LC–MS).

• Practical implications

  • If used for LC–MS quantitation, match the counterion/acid/base form between analyte and internal standard to minimize ionization efficiency differences.
  • For stability-indicating methods, verify that degradation pathways (hydrolysis/oxidation) are controlled under storage and sample prep conditions.

Reaction and Applications

• Item-specific (from Product Data)

  • Manufacturer applications: Not specified.

• Likely research uses (general, non-clinical)

  • Reference or internal standard for analytical method development (LC–UV/LC–MS) in metabolism, stability, or formulation studies focusing on apixaban-related compounds. The “C,d” designation suggests potential use as an isotopically labeled internal standard; confirm with CoA.
  • System suitability and recovery studies in sample preparation workflows (protein precipitation, SPE, LLE) where a structurally similar standard is advantageous.

• Not typically used as a synthetic reagent

  • As a highly specific small molecule, it is not commonly employed as a general-purpose reagent or catalyst. If derivatized further (e.g., for metabolite synthesis), standard amide/urea/aryl coupling chemistries may apply, but such usage is case-specific and outside the typical scope of this product.

• Practical tips (general)

  • For quantitative workflows, prepare gravimetrically (balance-verified) stock solutions and store aliquots at −20°C to avoid freeze–thaw cycles.
  • Validate linearity and matrix effects using matrix-matched calibration curves; if isotopically labeled, verify co-elution and mass shift relative to the analyte.
  • Employ stability-indicating LC methods to monitor for hydrolysis/oxidation during sample prep and storage.

Reaction Conditions

This product is not typically employed as a reagent or substrate in general synthetic transformations; therefore, no standard reaction conditions are specified for it.

• If derivatization is contemplated (general guidance only; verify structure first)

  • Solvents: dry DMF, DCM, acetonitrile, or THF are common for coupling reactions.
  • Coupling systems: EDC/HOBt, HATU/DIPEA, or T3P for amide formation when a carboxyl group is present.
  • Temperatures: 0–25°C for activation and coupling; avoid prolonged heating that may induce decomposition of complex heteroaromatics.
  • Workup: aqueous quench followed by extraction or direct preparative HPLC; characterize by LC–MS and NMR.

• Analytical method development (more typical use)

  • Mobile phases: water with volatile buffers (e.g., ammonium formate/acetate) and acetonitrile or methanol; gradients optimized to resolve analyte from matrix components.
  • Detection: UV at multiple wavelengths and/or MS in positive/negative ESI depending on ionization behavior; confirm ion transitions and retention time with authentic standard.

All conditions above are general literature practices and are not specifications for this item.

Safety and Handling

• Item-specific (from Product Data)

  • GHS classification: Not specified for this item; refer to SDS.
  • Signal word / pictograms / H-statements: Not specified for this item; refer to SDS.
  • Storage conditions: Store at −20°C.
  • Shipped in: Ice chest + ice pads.

• General laboratory precautions (defer to SDS for authoritative guidance)

  • Handle in a fume hood to avoid inhalation of dust or aerosols. Avoid skin and eye contact; use standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Wash thoroughly after handling.
  • Prevent contamination of analytical standards by using clean, dry, dedicated spatulas and amber vials. Humidity control is recommended for hygroscopic or ionizable small molecules.
  • Incompatibilities (general): strong oxidizers and strong acids/bases may induce degradation; avoid prolonged exposure to high temperatures, moisture, and light.

• First-aid overview (general)

  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation develops.
  • Ingestion: rinse mouth; do not induce vomiting; seek medical advice.

• Spill/leak response (general)

  • Avoid dust generation; collect with inert absorbent or HEPA-equipped vacuum; dispose according to institutional and local regulations.

Always consult the product-specific SDS before use.

Solvent Selection

• Item-specific (from Product Data)

  • No solvent recommendations are specified; refer to CoA/Spec Sheet.

• General considerations for apixaban-related small molecules

  • Primary stock solvents: DMSO and acetonitrile offer high solvating power, LC–MS compatibility, and good low-temperature stability.
  • Secondary solvents: methanol, ethanol, and DMF can be used; aqueous buffers may require co-solvent or pH adjustment (free acid forms often dissolve better at basic pH via salt formation; confirm compatibility).
  • Miscibility and preparation
    • Prepare concentrated stocks (e.g., 1–10 mM) in DMSO or acetonitrile; dilute into aqueous media last to minimize precipitation.
    • Filter 0.2 µm if particulate is observed; avoid adsorption losses by using silanized or low-bind vials.

• Comparison (general)

  • DMSO: highest solvency; may affect bioassays above 0.5–1% v/v.
  • Acetonitrile: LC–MS friendly, volatile; lower viscosity facilitates precise pipetting.
  • Methanol: good solvency; higher proticity can impact recovery on some stationary phases.

• Practical tip

  • Verify solution stability by short-term LC at time zero vs. 24–48 h under intended storage; protect from light and moisture. Record exact solvent composition on vials for traceability.

Storage and Reconstitution

• Item-specific (from Product Data)

  • Storage conditions: Store at −20°C.
  • Shipped in: Ice chest + ice pads.

• General storage guidance for small-molecule standards

  • Keep container tightly closed in a dry, inert atmosphere. Protect from light and moisture. If the compound is hygroscopic or prone to hydrolysis (unknown here), consider storage in a desiccator or with desiccant packs within secondary containment.
  • Avoid repeated freeze–thaw; distribute material into single-use aliquots when feasible.

• Reconstitution

  • Solvents: LC–MS grade DMSO or acetonitrile are typical for initial dissolution. If aqueous use is required, dilute into buffer with gentle mixing; include co-solvent and/or adjust pH as appropriate once the compound’s ionization state is confirmed by the CoA.
  • Concentration verification: For quantitative work, confirm concentration by an orthogonal method (e.g., UV with known extinction coefficient if available, or LC with external calibration; qNMR is ideal when feasible).

• Stability monitoring

  • Periodically check stored aliquots by LC for degradation or adsorption losses, particularly after 3–6 months of storage or upon any deviation from recommended conditions.

Always follow the product’s CoA and SDS for definitive instructions.

Structure and Identity

This listing refers to Apixaban acid-C,d, a research-use small-molecule standard/derivative related to the apixaban scaffold (exact isotopic and positional details not provided).

• Item-specific (from Product Data)

  • SKU: A1446423
  • Product name: Apixaban acid-C,d
  • CAS: 2748468-47-3
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

• Interpreted structural context (general/literature)

  • The designation “acid” commonly denotes a carboxylate-bearing form or hydrolysis product relative to a parent amide/lactam; “C,d” often denotes isotopic enrichment (e.g., 13C and 2H) used as internal standards. Exact placement of labels and functional groups is not provided and should be confirmed from the CoA.
  • No stereochemical or regiochemical details are supplied for this item.

• 2D structural description (general guidance)

  • Without a provided structure, only general features associated with apixaban-related scaffolds can be mentioned: fused heteroaromatic/aryl systems and urea/amide-type linkages are typical of the class. Do not rely on this for structural confirmation of this specific item—use the certificate of analysis (CoA) for definitive identity.

Synthetic Utility

• Item-specific (from Product Data)

  • No synthetic application guidance is provided for this item.

• General considerations

  • Apixaban-derived molecules are typically end-products or analytical surrogates rather than versatile building blocks. As such, this compound is not ordinarily used as a reagent in multistep synthesis.
  • If the “acid” form is confirmed (via CoA), derivatization options could, in principle, include: formation of salts, coupling to amines via standard amide bond formation (carbodiimide/uronium reagents), or isotope-dilution calibration mixtures. These applications are user-defined and require verification of the exact functional groups present in this item.

• Practical notes for any derivatization (general)

  • Use anhydrous conditions and non-nucleophilic bases for acylation chemistry if a carboxylic acid is present; monitor by LC–MS for completion and avoid over-activation leading to racemization or side reactions (if stereocenters exist).
  • Purification by preparative HPLC is often preferred for complex small molecules to ensure high purity and remove activation byproducts.

• Recommendation

  • Consult the item’s CoA and, if available, structural dossier before planning any transformations. For most users, its primary value is as a well-characterized analytical standard.

Target Specificity

No target, antigen, or binding specificity information is provided for this small-molecule product, and such attributes are not typically defined for chemical reference standards.

• Item-specific

  • Target/epitope/clone/isotype: Not applicable.

• Note

  • If used as an internal standard, “specificity” pertains to chromatographic and mass-spectrometric selectivity in an analytical method rather than biological target binding.